Hi!
A bit of an odd question, but perhaps someone has done this before:
say I want to instantly mutate a residue (without performing FEP), without
the new residue clashing with any water molecule. How could I go about it?
Is there a better way than finding the lining water molecules, applying
some pull away from the residue and running a few steps before doing the
mutation?
Thanks for any help!
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Received on Wed Apr 07 2021 - 11:30:02 PDT
